SCHEMBL2224490

SCHEMBL2224490

Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NPC1 O15118 1/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2226730 0.84 LMNA (0.55) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL2224488 0.83 TGM2 (0.60) LMNAHSD17B10F13A1TGM2TGM1
SCHEMBL2225293 0.73 ALDH1A1 (0.57) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12693450 0.71 MAPT (0.56) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL693208 0.71 MAPT (0.55) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL2228142 0.70 IRAK4 (0.43) LMNAKDM4E
SCHEMBL2224010 0.70 LMNA (0.49) LMNAHSD17B10MAPTKMT2AMAPK1
SCHEMBL3913162 0.70 MAPT (0.50) LMNAMAPTMAPK1ALDH1A1HTT
SCHEMBL308445 0.69 F13A1 (0.46) TSHRF13A1TGM2TGM1
SCHEMBL1430098 0.69 F13A1 (0.46) TSHRF13A1TGM2TGM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed